9SL0

Crystal structure of HLA-A0201 in complex with peptide LLWNGPMAV

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-11-08
Detector	DECTRIS PILATUS4 X 4M
Wavelength(s)	0.87313
Spacegroup name	P 21 21 21
Unit cell lengths	60.181, 80.201, 111.589
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.740 - 1.600
R-factor	0.2354
Rwork	0.234
R-free	0.26380
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.784
Data reduction software	XDS (Jun 30, 2024 (BUILT 20241002)
Data scaling software	Aimless
Phasing software	PHENIX (1.21.2-5419)
Refinement software	PHENIX (1.21.2-5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.744	1.623
High resolution limit [Å]	1.596	1.596
Rmerge	0.081
Rmeas	0.085
Number of reflections	72436	3522
<I/σ(I)>	18.6	1.6
Completeness [%]	99.6
Redundancy	13.6
CC(1/2)	0.999	0.752

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291.15	0.005 M Cadmium chloride hemi(pentahydrate), 0.1 M Tris 8.5, 20% w/v PEG 4000 Clear-Strategy-Screen-II H3